#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nrx s LEU 342 N 0.00 4.37 0.20 0.99 1.43 0.67 -4.99 118.68 121.35 2nrx s LEU 342 Ca 0.00 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 2nrx s LEU 342 Cb 0.00 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 2nrx s LEU 342 CO 0.00 -0.54 1.07 -0.13 0.23 0.00 0.00 176.35 176.98 2nrx s ARG 343 N 1.05 4.65 0.21 1.70 0.52 -1.26 -4.67 118.95 121.14 2nrx s ARG 343 Ca 0.61 1.68 -0.14 0.00 -0.52 0.00 0.00 55.73 57.36 2nrx s ARG 343 Cb -0.32 -3.27 0.23 0.00 0.52 0.00 0.00 34.95 32.11 2nrx s ARG 343 CO 0.30 0.18 1.63 -0.22 0.02 0.00 0.00 175.30 177.20 2nrx h LYS 344 N 4.74 -0.00 -0.77 3.54 3.64 -1.98 -1.47 116.57 124.27 2nrx h LYS 344 Ca -0.45 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2nrx h LYS 344 Cb 1.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 2nrx h LYS 344 CO 0.71 -0.00 0.45 0.93 -2.27 0.00 0.00 179.45 179.27 2nrx h GLU 345 N -0.00 1.05 -0.21 1.90 3.07 -1.99 -1.03 114.58 117.36 2nrx h GLU 345 Ca 0.30 -0.10 -0.21 0.00 -0.50 0.00 0.00 59.36 58.85 2nrx h GLU 345 Cb 0.46 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2nrx h GLU 345 CO -0.65 0.74 -0.70 0.00 -1.40 0.00 0.00 179.01 177.01 2nrx h ALA 346 N 1.43 0.36 -1.00 3.43 0.00 -1.84 -0.84 119.26 120.81 2nrx h ALA 346 Ca 0.28 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.67 2nrx h ALA 346 Cb -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2nrx h ALA 346 CO -0.05 0.68 0.64 -0.07 0.00 0.00 0.00 179.25 180.46 2nrx h LEU 347 N 0.60 1.04 -0.47 0.00 3.38 -0.86 0.19 115.31 119.19 2nrx h LEU 347 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2nrx h LEU 347 Cb 1.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2nrx h LEU 347 CO 0.15 0.68 -0.11 -0.33 0.09 0.00 0.00 178.44 178.92 2nrx h GLU 348 N 1.19 0.90 -0.83 1.13 5.08 -0.92 -0.73 114.58 120.40 2nrx h GLU 348 Ca 0.42 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2nrx h GLU 348 Cb 0.13 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2nrx h GLU 348 CO -0.16 0.99 0.38 0.93 -1.00 0.00 0.00 179.01 180.15 2nrx h GLU 349 N 0.74 1.21 -0.03 2.33 4.39 -0.78 -1.19 114.58 121.26 2nrx h GLU 349 Ca 0.12 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2nrx h GLU 349 Cb 0.66 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2nrx h GLU 349 CO 0.05 0.94 -0.09 1.25 -1.16 0.00 0.00 179.01 180.00 2nrx h LEU 350 N 1.19 -0.27 -0.78 1.33 5.85 -0.40 -0.42 115.31 121.81 2nrx h LEU 350 Ca 0.28 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.14 2nrx h LEU 350 Cb 0.15 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2nrx h LEU 350 CO -0.03 -0.13 0.43 -0.03 -0.34 0.00 0.00 178.44 178.34 2nrx h MET 351 N -0.14 0.70 -0.17 1.25 4.05 -0.86 -0.79 114.93 118.96 2nrx h MET 351 Ca 0.05 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2nrx h MET 351 Cb 0.20 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 2nrx h MET 351 CO -0.12 0.46 0.05 -0.22 0.23 0.00 0.00 176.91 177.32 2nrx h LYS 352 N 0.72 0.26 -0.83 0.39 3.64 -1.09 0.71 116.57 120.38 2nrx h LYS 352 Ca 0.38 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.78 2nrx h LYS 352 Cb 0.37 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2nrx h LYS 352 CO -0.26 0.38 0.54 1.25 -2.27 0.00 0.00 179.45 179.09 2nrx h LEU 353 N 0.09 0.77 -1.67 5.20 5.85 -0.20 -2.10 115.31 123.24 2nrx h LEU 353 Ca 0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2nrx h LEU 353 Cb 0.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2nrx h LEU 353 CO -0.00 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 2nrx n LEU 354 N -4.50 2.54 -3.51 2.25 4.77 -0.39 -4.94 117.00 113.22 2nrx n LEU 354 Ca 0.13 -0.98 -0.26 0.00 -0.03 0.00 0.00 56.01 54.88 2nrx n LEU 354 Cb 0.25 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2nrx n LEU 354 CO 0.33 0.49 0.10 0.59 -1.33 0.00 0.00 177.39 177.56 2nrx n ASN 355 N 0.93 -5.44 -4.74 -1.43 5.03 -0.49 -4.93 115.26 104.18 2nrx n ASN 355 Ca 0.17 -0.53 -0.41 0.00 0.87 0.00 0.00 54.58 54.69 2nrx n ASN 355 Cb 0.49 -4.36 -0.04 0.00 -1.02 0.00 0.00 39.78 34.86 2nrx n ASN 355 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2nrx s MET 356 N -6.21 4.60 0.19 3.52 -1.94 0.12 -4.95 119.30 114.63 2nrx s MET 356 Ca 0.51 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 56.22 2nrx s MET 356 Cb -0.24 -3.27 0.10 0.00 2.01 0.00 0.00 34.83 33.43 2nrx s MET 356 CO 0.63 0.09 1.46 -0.22 -0.01 0.00 0.00 175.02 176.97 2nrx h LYS 357 N 4.97 0.34 -6.28 2.03 3.64 -1.91 -3.45 116.57 115.91 2nrx h LYS 357 Ca -0.45 -0.28 -0.64 0.00 -1.27 0.00 0.00 60.65 58.02 2nrx h LYS 357 Cb 1.21 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 2nrx h LYS 357 CO 0.72 0.92 -0.63 -0.51 -2.27 0.00 0.00 179.45 177.68 2nrx s ASP 358 N -6.95 5.24 0.30 4.20 1.01 -1.26 -5.08 116.67 114.13 2nrx s ASP 358 Ca -0.05 -0.13 -0.29 0.00 0.71 0.00 0.00 52.55 52.79 2nrx s ASP 358 Cb 0.11 -1.31 -0.10 0.00 1.01 0.00 0.00 42.92 42.63 2nrx s ASP 358 CO 0.83 0.16 1.36 0.12 0.21 0.00 0.00 175.17 177.84 2nrx s PHE 359 N -1.41 3.02 -1.22 4.23 5.36 -1.26 -4.89 117.98 121.82 2nrx s PHE 359 Ca 0.28 1.27 -0.16 0.00 -0.96 0.00 0.00 56.93 57.36 2nrx s PHE 359 Cb -0.12 -3.74 -0.03 0.00 -0.34 0.00 0.00 43.02 38.79 2nrx s PHE 359 CO 0.20 -2.17 2.15 -0.35 -1.46 0.00 0.00 175.22 173.59 2nrx n PRO 360 N 1.33 2.40 -0.02 10.12 -0.04 -1.26 -4.68 135.00 142.85 2nrx n PRO 360 Ca 0.02 -2.30 -0.13 0.00 -0.04 0.00 0.00 63.50 61.05 2nrx n PRO 360 Cb 0.41 -3.13 -0.10 0.00 -0.04 0.00 0.00 33.50 30.64 2nrx n PRO 360 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2nrx h TYR 361 N 6.62 0.01 -3.56 0.54 3.20 -1.93 -3.42 116.97 118.43 2nrx h TYR 361 Ca 0.53 -0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.75 2nrx h TYR 361 Cb 0.63 -0.00 -0.23 0.00 1.54 0.00 0.00 36.73 38.67 2nrx h TYR 361 CO 1.41 0.57 -0.64 0.50 -1.64 0.00 0.00 178.16 178.36 2nrx s ARG 362 N -3.96 3.63 -0.09 1.82 3.52 -1.26 -1.43 118.95 121.18 2nrx s ARG 362 Ca -0.16 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 2nrx s ARG 362 Cb 0.01 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2nrx s ARG 362 CO 0.68 -0.13 -0.23 0.42 -0.81 0.00 0.00 175.30 175.23 2nrx s ILE 363 N 1.42 2.18 0.03 4.11 1.01 -0.11 -0.51 121.20 129.33 2nrx s ILE 363 Ca 0.05 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.75 2nrx s ILE 363 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2nrx s ILE 363 CO 0.02 0.56 -0.06 -1.61 0.00 0.00 0.00 174.94 173.85 2nrx s GLU 364 N 0.18 2.47 -0.00 2.79 2.02 -0.70 -0.70 118.70 124.76 2nrx s GLU 364 Ca -0.13 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.10 2nrx s GLU 364 Cb -0.16 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 2nrx s GLU 364 CO 0.07 0.58 -0.10 0.20 0.02 0.00 0.00 175.26 176.02 2nrx s GLY 365 N -1.68 0.52 -0.12 -1.39 0.00 0.24 -0.43 107.32 104.46 2nrx s GLY 365 Ca 0.19 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.46 2nrx s GLY 365 CO 0.10 -0.42 -0.22 -0.42 0.00 0.00 0.00 173.10 172.14 2nrx s ILE 366 N -0.34 2.00 -0.10 0.90 1.01 -0.15 -0.82 121.20 123.70 2nrx s ILE 366 Ca 0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 2nrx s ILE 366 Cb -0.04 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 2nrx s ILE 366 CO -0.00 0.54 0.03 -0.62 0.00 0.00 0.00 174.94 174.89 2nrx s ASP 367 N 0.62 5.48 -0.22 3.58 2.15 -0.16 -1.67 116.67 126.45 2nrx s ASP 367 Ca -0.12 0.20 -0.04 0.00 0.43 0.00 0.00 52.55 53.02 2nrx s ASP 367 Cb -0.17 -1.63 -0.01 0.00 -0.30 0.00 0.00 42.92 40.82 2nrx s ASP 367 CO 0.03 0.37 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.72 2nrx s ILE 368 N -0.82 3.31 0.01 4.11 -1.09 -1.26 -0.33 121.20 125.13 2nrx s ILE 368 Ca 0.13 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 2nrx s ILE 368 Cb -0.12 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.24 2nrx s ILE 368 CO 0.03 0.42 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.61 2nrx s SER 369 N 1.47 1.24 -0.05 3.58 0.01 -0.49 -5.01 113.70 114.45 2nrx s SER 369 Ca 0.06 -0.28 0.06 0.00 1.31 0.00 0.00 55.95 57.10 2nrx s SER 369 Cb -0.14 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2nrx s SER 369 CO -0.04 0.07 -0.22 -2.28 0.41 0.00 0.00 173.24 171.18 2nrx s HIS 370 N -0.48 2.49 -0.40 2.43 2.46 -1.26 0.36 115.29 120.88 2nrx s HIS 370 Ca 0.02 -0.52 -0.12 0.00 0.47 0.00 0.00 55.06 54.92 2nrx s HIS 370 Cb -0.05 -1.59 0.04 0.00 -0.13 0.00 0.00 32.58 30.84 2nrx s HIS 370 CO 0.00 -0.08 0.25 -0.51 -2.47 0.00 0.00 174.74 171.93 2nrx s LEU 371 N -0.38 4.93 0.23 8.88 1.43 0.56 -4.97 118.68 129.36 2nrx s LEU 371 Ca 0.03 -1.09 -0.32 0.00 -1.03 0.00 0.00 54.13 51.72 2nrx s LEU 371 Cb -0.12 -2.05 -0.13 0.00 0.03 0.00 0.00 46.19 43.92 2nrx s LEU 371 CO 0.02 -0.44 1.56 1.67 0.23 0.00 0.00 176.35 179.38 2nrx n GLN 372 N 5.03 2.37 -0.98 1.70 -0.06 -1.26 -1.44 117.38 122.74 2nrx n GLN 372 Ca -0.11 0.85 0.00 0.00 -2.00 0.00 0.00 57.00 55.74 2nrx n GLN 372 Cb 0.45 -2.60 0.00 0.00 -4.06 0.00 0.00 30.24 24.03 2nrx n GLN 372 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2nrx n GLY 373 N 2.80 0.78 0.00 1.69 0.00 0.03 -4.84 105.19 105.66 2nrx n GLY 373 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2nrx n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nrx n LYS 374 N -2.28 0.00 -3.53 1.61 5.02 -0.52 -4.78 118.16 113.69 2nrx n LYS 374 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2nrx n LYS 374 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 2nrx n LYS 374 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2nrx s TYR 375 N 0.00 -0.34 0.05 2.13 -0.85 -0.82 -2.65 117.35 114.87 2nrx s TYR 375 Ca 0.00 0.18 -0.21 0.00 -0.52 0.00 0.00 57.07 56.52 2nrx s TYR 375 Cb 0.00 0.55 -0.06 0.00 0.38 0.00 0.00 41.96 42.83 2nrx s TYR 375 CO 0.00 -0.62 0.61 0.99 -1.52 0.00 0.00 175.55 175.01 2nrx s THR 376 N -3.22 4.77 -0.18 -3.49 2.01 -0.02 -0.32 115.64 115.20 2nrx s THR 376 Ca 0.05 1.29 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 2nrx s THR 376 Cb -0.01 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.56 2nrx s THR 376 CO -0.08 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 2nrx s VAL 377 N -0.73 2.76 -0.20 3.82 1.01 0.16 -0.91 120.40 126.30 2nrx s VAL 377 Ca 0.31 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2nrx s VAL 377 Cb -0.19 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2nrx s VAL 377 CO 0.19 0.50 0.29 0.00 0.00 0.00 0.00 175.10 176.08 2nrx s ALA 378 N 1.07 3.59 -0.14 5.51 0.00 0.14 -1.39 121.76 130.54 2nrx s ALA 378 Ca -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2nrx s ALA 378 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2nrx s ALA 378 CO -0.03 -0.12 -0.05 -1.12 0.00 0.00 0.00 175.76 174.43 2nrx s SER 379 N 0.83 4.71 -0.23 0.00 0.01 0.55 -0.31 113.70 119.26 2nrx s SER 379 Ca 0.15 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2nrx s SER 379 Cb -0.14 -1.70 0.04 0.00 0.21 0.00 0.00 66.02 64.43 2nrx s SER 379 CO 0.05 0.19 -0.14 -0.22 0.41 0.00 0.00 173.24 173.53 2nrx s LEU 380 N 0.22 2.90 0.28 2.44 2.96 0.30 -0.99 118.68 126.80 2nrx s LEU 380 Ca -0.03 -1.08 0.06 0.00 -0.22 0.00 0.00 54.13 52.86 2nrx s LEU 380 Cb -0.14 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2nrx s LEU 380 CO 0.03 -0.11 0.35 0.68 -1.32 0.00 0.00 176.35 175.98 2nrx s VAL 381 N 1.18 4.58 -0.06 1.68 -7.23 -0.00 -1.80 120.40 118.75 2nrx s VAL 381 Ca -0.03 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 2nrx s VAL 381 Cb -0.17 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.22 2nrx s VAL 381 CO -0.08 -0.27 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.70 2nrx s VAL 382 N -2.10 0.66 -0.14 1.32 1.01 -1.26 -0.59 120.40 119.29 2nrx s VAL 382 Ca 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2nrx s VAL 382 Cb -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2nrx s VAL 382 CO 0.29 0.26 -0.08 -0.36 0.00 0.00 0.00 175.10 175.21 2nrx s PHE 383 N 1.04 2.92 -0.06 5.22 0.08 0.13 0.21 117.98 127.52 2nrx s PHE 383 Ca -0.09 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.55 2nrx s PHE 383 Cb -0.14 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2nrx s PHE 383 CO -0.00 -0.10 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.65 2nrx s GLU 384 N 0.31 1.84 -1.45 0.44 2.02 -0.28 -0.93 118.70 120.64 2nrx s GLU 384 Ca -0.07 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 2nrx s GLU 384 Cb -0.15 -1.53 0.05 0.00 0.10 0.00 0.00 34.13 32.60 2nrx s GLU 384 CO 0.04 0.14 1.05 -3.47 0.02 0.00 0.00 175.26 173.04 2nrx n ASP 385 N 3.46 -5.18 0.00 -0.19 2.03 -0.51 -1.93 116.55 114.23 2nrx n ASP 385 Ca -0.20 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.42 2nrx n ASP 385 Cb 0.53 -4.34 0.00 0.00 -0.72 0.00 0.00 41.12 36.59 2nrx n ASP 385 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nrx n GLY 386 N -1.80 1.16 3.33 0.27 0.00 -1.26 -4.91 105.19 101.99 2nrx n GLY 386 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2nrx n GLY 386 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nrx s PHE 387 N -3.91 2.00 0.29 1.61 0.08 -0.81 -0.24 117.98 117.01 2nrx s PHE 387 Ca 0.00 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.36 2nrx s PHE 387 Cb 0.00 -1.09 -0.13 0.00 -0.57 0.00 0.00 43.02 41.22 2nrx s PHE 387 CO 0.00 0.25 1.24 -2.30 -0.10 0.00 0.00 175.22 174.31 2nrx n PRO 388 N 1.05 1.84 -3.70 0.24 -0.02 -1.26 -1.12 135.00 132.04 2nrx n PRO 388 Ca -0.19 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 2nrx n PRO 388 Cb 0.53 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2nrx n PRO 388 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nrx s LYS 389 N -1.34 2.91 0.49 -0.52 2.20 0.13 -4.78 119.74 118.83 2nrx s LYS 389 Ca 0.60 -2.99 0.26 0.00 -0.36 0.00 0.00 55.97 53.49 2nrx s LYS 389 Cb -0.64 -3.81 1.20 0.00 -1.51 0.00 0.00 37.83 33.07 2nrx s LYS 389 CO 0.58 -1.23 1.95 0.87 -0.36 0.00 0.00 175.35 177.16 2nrx h LYS 390 N 6.35 0.00 0.00 4.03 1.57 -1.93 -1.01 116.57 125.57 2nrx h LYS 390 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2nrx h LYS 390 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 2nrx h LYS 390 CO 0.78 0.17 -0.06 0.78 -0.57 0.00 0.00 179.45 180.55 2nrx h GLY 391 N 1.50 0.00 -1.14 3.86 0.00 -1.97 -2.02 103.07 103.30 2nrx h GLY 391 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nrx h GLY 391 CO 0.02 0.00 -0.19 1.22 0.00 0.00 0.00 176.54 177.59 2nrx n ASP 392 N -3.57 2.22 -4.76 0.19 9.92 -0.39 -4.96 116.55 115.21 2nrx n ASP 392 Ca -0.02 -1.63 -0.38 0.00 -0.53 0.00 0.00 54.79 52.23 2nrx n ASP 392 Cb 0.18 0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 2nrx n ASP 392 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2nrx s TYR 393 N -2.22 2.74 0.06 1.24 1.51 -0.76 -4.81 117.35 115.11 2nrx s TYR 393 Ca 0.26 1.47 -0.04 0.00 -1.01 0.00 0.00 57.07 57.75 2nrx s TYR 393 Cb 0.19 -3.55 -0.02 0.00 -0.11 0.00 0.00 41.96 38.47 2nrx s TYR 393 CO 0.42 -1.95 0.06 1.03 -1.11 0.00 0.00 175.55 174.00 2nrx s ARG 394 N -2.60 0.69 0.21 -0.62 1.81 -0.75 -5.01 118.95 112.68 2nrx s ARG 394 Ca 0.63 -1.09 0.11 0.00 -1.72 0.00 0.00 55.73 53.66 2nrx s ARG 394 Cb -0.34 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 2nrx s ARG 394 CO 0.42 -0.17 -0.19 1.03 -0.68 0.00 0.00 175.30 175.70 2nrx s ARG 395 N -3.79 1.69 -0.04 3.54 0.52 -1.26 -0.54 118.95 119.08 2nrx s ARG 395 Ca 0.05 -1.52 0.04 0.00 -0.52 0.00 0.00 55.73 53.78 2nrx s ARG 395 Cb 0.06 -1.91 -0.00 0.00 0.52 0.00 0.00 34.95 33.62 2nrx s ARG 395 CO -0.10 0.39 -0.15 0.71 0.02 0.00 0.00 175.30 176.17 2nrx s TYR 396 N -1.86 1.53 -0.10 -0.53 2.02 0.58 -4.97 117.35 114.01 2nrx s TYR 396 Ca 0.24 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.50 2nrx s TYR 396 Cb -0.07 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 2nrx s TYR 396 CO 0.12 -0.15 -0.09 0.15 -1.57 0.00 0.00 175.55 174.01 2nrx s LYS 397 N 0.09 3.13 -0.21 -0.62 1.02 -1.26 0.27 119.74 122.15 2nrx s LYS 397 Ca -0.04 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.37 2nrx s LYS 397 Cb -0.11 -2.66 0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2nrx s LYS 397 CO 0.02 0.43 -0.14 0.42 -0.92 0.00 0.00 175.35 175.16 2nrx s ILE 398 N -0.19 1.96 -0.19 2.17 1.09 -0.09 -4.97 121.20 120.99 2nrx s ILE 398 Ca 0.02 -1.19 -0.27 0.00 -1.10 0.00 0.00 60.65 58.10 2nrx s ILE 398 Cb -0.13 -1.95 -0.01 0.00 -1.06 0.00 0.00 42.46 39.31 2nrx s ILE 398 CO 0.03 0.23 0.92 -1.61 -0.10 0.00 0.00 174.94 174.41 2nrx s GLU 399 N 1.26 4.29 -0.29 2.79 2.02 -1.26 -0.84 118.70 126.67 2nrx s GLU 399 Ca -0.02 1.16 -0.25 0.00 0.02 0.00 0.00 54.97 55.88 2nrx s GLU 399 Cb -0.16 -3.60 0.17 0.00 0.10 0.00 0.00 34.13 30.64 2nrx s GLU 399 CO -0.09 -0.44 1.30 1.14 0.02 0.00 0.00 175.26 177.20 2nrx s GLN 400 N 2.51 0.21 0.17 1.61 -2.07 -1.09 -4.97 119.66 116.04 2nrx s GLN 400 Ca 0.41 0.24 -0.05 0.00 -1.82 0.00 0.00 55.36 54.14 2nrx s GLN 400 Cb -0.16 0.10 0.05 0.00 -1.09 0.00 0.00 33.01 31.91 2nrx s GLN 400 CO 0.11 -0.03 1.47 -0.44 -1.32 0.00 0.00 175.29 175.08 2nrx h ASP 401 N 3.43 0.72 -3.72 12.60 5.19 -1.86 -3.17 116.42 129.59 2nrx h ASP 401 Ca -0.27 -0.39 -0.68 0.00 -0.62 0.00 0.00 57.03 55.08 2nrx h ASP 401 Cb 1.19 -0.21 -0.19 0.00 0.18 0.00 0.00 39.33 40.31 2nrx h ASP 401 CO 0.16 1.13 -0.74 -1.00 -3.12 0.00 0.00 179.24 175.66 2nrx s HIS 402 N -4.01 2.75 0.63 4.55 3.76 -1.26 -0.79 115.29 120.92 2nrx s HIS 402 Ca -0.08 -0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.54 2nrx s HIS 402 Cb 0.11 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 2nrx s HIS 402 CO 0.86 0.34 1.09 -1.25 -0.85 0.00 0.00 174.74 174.92 2nrx s PRO 403 N -1.55 3.04 -0.45 8.40 0.04 -1.26 -4.98 135.00 138.25 2nrx s PRO 403 Ca 0.17 1.33 0.06 0.00 0.04 0.00 0.00 61.00 62.59 2nrx s PRO 403 Cb -0.11 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.62 2nrx s PRO 403 CO 0.08 -1.05 0.54 0.34 0.04 0.00 0.00 177.00 176.95 2nrx s ASP 404 N -2.62 -0.14 0.30 6.66 -1.08 -1.26 -5.06 116.67 113.47 2nrx s ASP 404 Ca 0.66 -2.01 0.00 0.00 -0.52 0.00 0.00 52.55 50.69 2nrx s ASP 404 Cb -0.19 0.98 0.48 0.00 -1.46 0.00 0.00 42.92 42.73 2nrx s ASP 404 CO 0.39 -0.13 1.86 0.44 0.52 0.00 0.00 175.17 178.24 2nrx h ASP 405 N 5.76 0.70 -0.36 -0.34 3.32 -1.99 -0.32 116.42 123.20 2nrx h ASP 405 Ca 0.12 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 2nrx h ASP 405 Cb 1.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2nrx h ASP 405 CO 0.16 0.68 -0.28 1.88 -1.72 0.00 0.00 179.24 179.96 2nrx h TYR 406 N 0.74 0.97 -0.25 4.55 0.05 -1.97 -0.08 116.97 120.99 2nrx h TYR 406 Ca 0.17 -0.27 -0.09 0.00 0.05 0.00 0.00 58.73 58.58 2nrx h TYR 406 Cb 0.25 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2nrx h TYR 406 CO 0.01 1.05 -0.24 1.49 -1.05 0.00 0.00 178.16 179.43 2nrx h GLU 407 N 0.61 0.47 -0.37 4.88 4.57 -1.92 -1.05 114.58 121.77 2nrx h GLU 407 Ca 0.07 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2nrx h GLU 407 Cb 0.86 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2nrx h GLU 407 CO 0.07 0.68 0.11 0.77 -1.18 0.00 0.00 179.01 179.46 2nrx h SER 408 N 0.42 0.54 -0.60 1.04 0.02 -0.83 0.63 113.55 114.77 2nrx h SER 408 Ca 0.06 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2nrx h SER 408 Cb 0.65 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2nrx h SER 408 CO 0.05 0.61 0.35 0.40 -1.14 0.00 0.00 176.83 177.10 2nrx h ILE 409 N 0.44 1.18 0.18 3.27 2.04 -0.84 -0.40 117.51 123.38 2nrx h ILE 409 Ca 0.12 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2nrx h ILE 409 Cb 0.27 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2nrx h ILE 409 CO -0.00 0.19 -0.24 -0.09 0.00 0.00 0.00 178.15 178.01 2nrx h ARG 410 N 0.81 -0.46 -0.95 2.37 2.43 -0.89 -1.13 114.38 116.55 2nrx h ARG 410 Ca 0.21 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.51 2nrx h ARG 410 Cb -0.01 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 2nrx h ARG 410 CO -0.04 -0.30 0.60 1.15 -1.51 0.00 0.00 179.97 179.86 2nrx h THR 411 N -0.47 0.98 -0.20 0.20 2.02 -0.70 -1.29 112.91 113.45 2nrx h THR 411 Ca 0.01 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2nrx h THR 411 Cb 0.47 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2nrx h THR 411 CO -0.09 0.18 0.01 0.58 0.37 0.00 0.00 175.52 176.57 2nrx h VAL 412 N 1.00 1.25 -0.42 3.16 2.07 -0.78 -0.42 116.25 122.12 2nrx h VAL 412 Ca 0.45 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2nrx h VAL 412 Cb 0.34 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2nrx h VAL 412 CO -0.23 0.25 0.22 0.58 0.02 0.00 0.00 177.57 178.42 2nrx h VAL 413 N 0.11 1.00 -0.40 2.57 2.07 -1.01 0.13 116.25 120.71 2nrx h VAL 413 Ca 0.06 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2nrx h VAL 413 Cb 0.37 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2nrx h VAL 413 CO 0.01 0.08 -0.08 0.11 0.02 0.00 0.00 177.57 177.71 2nrx h LYS 414 N 0.45 0.77 -0.25 1.57 1.57 -1.12 -1.65 116.57 117.91 2nrx h LYS 414 Ca 0.17 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2nrx h LYS 414 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2nrx h LYS 414 CO -0.11 0.90 0.08 0.00 -0.57 0.00 0.00 179.45 179.74 2nrx h ARG 415 N 0.59 0.39 0.02 3.15 3.08 -0.85 -2.44 114.38 118.31 2nrx h ARG 415 Ca 0.10 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2nrx h ARG 415 Cb 0.60 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2nrx h ARG 415 CO 0.04 0.46 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.30 2nrx h ARG 416 N 0.23 -0.03 -0.06 0.04 2.43 -0.74 -3.31 114.38 112.94 2nrx h ARG 416 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2nrx h ARG 416 Cb 0.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2nrx h ARG 416 CO -0.00 0.43 0.00 0.66 -1.51 0.00 0.00 179.97 179.55 2nrx n TYR 417 N -4.88 0.06 0.86 2.20 4.01 -0.62 -0.64 117.16 118.14 2nrx n TYR 417 Ca -0.08 -0.03 0.14 0.00 -0.16 0.00 0.00 57.90 57.76 2nrx n TYR 417 Cb 0.24 0.00 0.52 0.00 -0.31 0.00 0.00 39.34 39.79 2nrx n TYR 417 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2nrx n SER 418 N 0.12 0.32 -0.01 7.72 7.64 -0.92 -4.28 113.62 124.22 2nrx n SER 418 Ca 0.18 0.50 -0.02 0.00 1.01 0.00 0.00 58.87 60.54 2nrx n SER 418 Cb 0.32 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 2nrx n SER 418 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2nrx n LYS 419 N -1.79 2.06 -4.21 1.43 4.81 -0.87 -5.07 118.16 114.53 2nrx n LYS 419 Ca 0.06 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.21 2nrx n LYS 419 Cb 0.37 -1.06 -0.09 0.00 0.02 0.00 0.00 35.03 34.28 2nrx n LYS 419 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2nrx s HIS 420 N -2.06 2.88 0.67 5.64 3.76 0.19 -5.11 115.29 121.27 2nrx s HIS 420 Ca -0.02 -0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 2nrx s HIS 420 Cb 0.01 -1.51 0.01 0.00 1.11 0.00 0.00 32.58 32.20 2nrx s HIS 420 CO 0.08 0.45 1.18 -1.25 -0.85 0.00 0.00 174.74 174.34 2nrx s PRO 421 N -2.15 2.55 0.66 8.40 0.04 -1.26 -4.43 135.00 138.81 2nrx s PRO 421 Ca 0.23 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2nrx s PRO 421 Cb -0.11 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2nrx s PRO 421 CO 0.15 -1.49 1.15 -0.51 0.04 0.00 0.00 177.00 176.34 2nrx s LEU 422 N -4.79 3.45 0.00 -3.56 1.43 -1.26 -4.99 118.68 108.96 2nrx s LEU 422 Ca 0.73 2.17 -0.06 0.00 -1.03 0.00 0.00 54.13 55.93 2nrx s LEU 422 Cb -0.27 -4.57 0.11 0.00 0.03 0.00 0.00 46.19 41.49 2nrx s LEU 422 CO 0.41 -1.75 0.64 -0.81 0.23 0.00 0.00 176.35 175.07 2nrx n PRO 423 N -2.25 -0.44 0.10 1.29 -0.04 -1.26 -4.99 135.00 127.41 2nrx n PRO 423 Ca 0.12 -1.14 -0.04 0.00 -0.04 0.00 0.00 63.50 62.39 2nrx n PRO 423 Cb 0.51 -0.61 0.11 0.00 -0.04 0.00 0.00 33.50 33.46 2nrx n PRO 423 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2nrx h ASN 424 N -0.75 0.15 -3.77 3.54 4.21 -1.14 -3.46 115.58 114.36 2nrx h ASN 424 Ca -0.21 -0.10 -0.16 0.00 1.21 0.00 0.00 56.30 57.04 2nrx h ASN 424 Cb 0.61 -0.04 -0.26 0.00 -1.12 0.00 0.00 38.32 37.51 2nrx h ASN 424 CO 0.16 0.78 -0.40 -0.22 -1.29 0.00 0.00 177.43 176.46 2nrx s LEU 425 N -7.66 0.88 -0.18 1.61 2.96 -1.09 -4.34 118.68 110.85 2nrx s LEU 425 Ca -0.03 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 2nrx s LEU 425 Cb 0.12 0.92 -0.02 0.00 0.50 0.00 0.00 46.19 47.71 2nrx s LEU 425 CO 0.79 -0.10 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.47 2nrx s LEU 426 N 0.29 3.15 -0.12 -0.68 2.96 -0.53 -1.72 118.68 122.04 2nrx s LEU 426 Ca -0.01 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2nrx s LEU 426 Cb -0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2nrx s LEU 426 CO -0.01 0.10 0.04 0.12 -1.32 0.00 0.00 176.35 175.28 2nrx s PHE 427 N 0.79 3.27 -0.04 5.38 5.36 0.43 -0.44 117.98 132.73 2nrx s PHE 427 Ca -0.01 0.22 0.05 0.00 -0.96 0.00 0.00 56.93 56.23 2nrx s PHE 427 Cb -0.14 -1.89 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 2nrx s PHE 427 CO 0.02 0.44 -0.19 0.14 -1.46 0.00 0.00 175.22 174.17 2nrx s VAL 428 N -0.58 1.55 -1.35 3.12 -7.23 -0.17 -0.98 120.40 114.77 2nrx s VAL 428 Ca 0.10 -0.79 -0.14 0.00 -1.81 0.00 0.00 61.98 59.34 2nrx s VAL 428 Cb -0.12 -1.33 0.09 0.00 0.56 0.00 0.00 36.38 35.59 2nrx s VAL 428 CO 0.02 0.44 1.92 -0.67 -0.31 0.00 0.00 175.10 176.50 2nrx n ASP 429 N 3.05 4.59 0.00 4.85 2.03 -0.67 -3.24 116.55 127.16 2nrx n ASP 429 Ca -0.18 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.20 2nrx n ASP 429 Cb 0.53 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 2nrx n ASP 429 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nrx n GLY 430 N 4.21 -1.17 0.00 0.27 0.00 -1.16 -4.83 105.19 102.50 2nrx n GLY 430 Ca 0.47 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2nrx n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nrx n GLY 431 N -0.01 1.83 0.26 -0.02 0.00 -1.26 -2.10 105.19 103.88 2nrx n GLY 431 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.23 2nrx n GLY 431 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nrx h ILE 432 N 0.00 0.66 -0.44 -0.61 2.04 -1.95 -0.87 117.51 116.32 2nrx h ILE 432 Ca 0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2nrx h ILE 432 Cb 0.00 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2nrx h ILE 432 CO 0.00 0.07 0.12 1.23 0.00 0.00 0.00 178.15 179.57 2nrx h GLY 433 N 0.37 0.76 0.94 5.37 0.00 -1.99 0.14 103.07 108.65 2nrx h GLY 433 Ca 0.37 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2nrx h GLY 433 CO -0.40 0.43 -0.32 1.46 0.00 0.00 0.00 176.54 177.71 2nrx h GLN 434 N 0.58 0.64 -0.19 4.80 4.20 -1.76 -1.60 115.11 121.77 2nrx h GLN 434 Ca 0.14 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2nrx h GLN 434 Cb 0.30 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2nrx h GLN 434 CO -0.00 0.98 0.09 0.28 -0.67 0.00 0.00 178.83 179.51 2nrx h VAL 435 N 0.34 1.14 -0.75 -0.54 2.07 -1.05 -1.95 116.25 115.50 2nrx h VAL 435 Ca 0.03 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2nrx h VAL 435 Cb 0.90 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2nrx h VAL 435 CO 0.08 0.13 0.49 0.78 0.02 0.00 0.00 177.57 179.07 2nrx h ASN 436 N 0.18 0.82 -0.50 0.57 2.35 -0.68 -1.15 115.58 117.17 2nrx h ASN 436 Ca 0.07 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2nrx h ASN 436 Cb 0.13 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2nrx h ASN 436 CO -0.01 0.57 0.32 0.00 -1.65 0.00 0.00 177.43 176.66 2nrx h ALA 437 N 1.55 0.64 -0.22 -0.83 0.00 -0.96 -0.04 119.26 119.41 2nrx h ALA 437 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2nrx h ALA 437 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2nrx h ALA 437 CO -0.08 0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.26 2nrx h ALA 438 N 1.20 0.29 -0.41 0.00 0.00 -0.86 -1.17 119.26 118.31 2nrx h ALA 438 Ca 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2nrx h ALA 438 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2nrx h ALA 438 CO -0.07 -0.05 0.18 0.82 0.00 0.00 0.00 179.25 180.13 2nrx h ILE 439 N 0.17 0.93 -0.57 0.00 2.04 -1.00 -0.43 117.51 118.65 2nrx h ILE 439 Ca 0.07 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2nrx h ILE 439 Cb 0.29 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2nrx h ILE 439 CO 0.00 0.07 0.03 -0.33 0.00 0.00 0.00 178.15 177.92 2nrx h GLU 440 N 0.37 0.96 -0.64 2.37 5.08 -0.87 -1.38 114.58 120.47 2nrx h GLU 440 Ca 0.18 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2nrx h GLU 440 Cb 0.13 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2nrx h GLU 440 CO -0.15 0.93 0.12 0.00 -1.00 0.00 0.00 179.01 178.90 2nrx h ALA 441 N 1.14 0.85 -0.57 3.43 0.00 -0.93 -1.45 119.26 121.73 2nrx h ALA 441 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2nrx h ALA 441 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2nrx h ALA 441 CO 0.02 0.60 0.27 -0.07 0.00 0.00 0.00 179.25 180.08 2nrx h LEU 442 N 0.97 0.75 -0.48 0.00 3.38 -0.71 -2.73 115.31 116.49 2nrx h LEU 442 Ca 0.20 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2nrx h LEU 442 Cb 0.41 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2nrx h LEU 442 CO 0.01 0.67 0.25 0.11 0.09 0.00 0.00 178.44 179.56 2nrx h LYS 443 N 0.77 0.48 -0.98 1.13 1.57 -1.14 -0.46 116.57 117.94 2nrx h LYS 443 Ca 0.20 -0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.15 2nrx h LYS 443 Cb 0.12 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.23 2nrx h LYS 443 CO -0.02 0.32 0.62 0.93 -0.57 0.00 0.00 179.45 180.72 2nrx h GLU 444 N 0.49 0.62 -0.65 3.15 5.08 -0.97 -1.87 114.58 120.43 2nrx h GLU 444 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2nrx h GLU 444 Cb 0.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2nrx h GLU 444 CO -0.14 0.41 0.00 0.44 -1.00 0.00 0.00 179.01 178.72 2nrx n ILE 445 N -4.67 1.22 -2.35 3.13 -5.35 -0.98 -4.97 119.36 105.39 2nrx n ILE 445 Ca 0.22 -1.06 -0.07 0.00 -0.27 0.00 0.00 62.75 61.57 2nrx n ILE 445 Cb 0.63 0.40 0.01 0.00 -1.74 0.00 0.00 39.64 38.93 2nrx n ILE 445 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nrx n GLY 446 N 1.32 0.20 3.41 3.28 0.00 -0.67 -5.03 105.19 107.70 2nrx n GLY 446 Ca 0.23 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2nrx n GLY 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nrx s LYS 447 N -4.67 1.49 -0.12 1.61 -0.14 -0.27 -5.02 119.74 112.62 2nrx s LYS 447 Ca 0.06 -1.31 0.02 0.00 -1.36 0.00 0.00 55.97 53.38 2nrx s LYS 447 Cb -0.03 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.19 2nrx s LYS 447 CO 0.07 0.46 -0.19 0.34 -0.76 0.00 0.00 175.35 175.27 2nrx s ASP 448 N -2.04 2.77 -0.19 2.83 -1.08 -1.26 -4.04 116.67 113.65 2nrx s ASP 448 Ca 0.15 -0.51 -0.18 0.00 -0.52 0.00 0.00 52.55 51.48 2nrx s ASP 448 Cb -0.10 -1.26 0.05 0.00 -1.46 0.00 0.00 42.92 40.15 2nrx s ASP 448 CO 0.07 0.05 0.52 0.00 0.52 0.00 0.00 175.17 176.33 2nrx s PRO 450 N 0.26 3.74 -0.07 0.00 0.04 -1.26 -4.91 135.00 132.79 2nrx s PRO 450 Ca -0.00 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.22 2nrx s PRO 450 Cb -0.04 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.92 2nrx s PRO 450 CO 0.01 -0.68 -0.17 0.08 0.04 0.00 0.00 177.00 176.28 2nrx s VAL 451 N -1.31 1.48 0.05 -0.36 1.01 -1.26 -1.45 120.40 118.57 2nrx s VAL 451 Ca 0.61 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2nrx s VAL 451 Cb -0.38 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2nrx s VAL 451 CO 0.48 0.43 -0.19 0.54 0.00 0.00 0.00 175.10 176.35 2nrx s VAL 452 N 0.47 1.57 0.24 2.92 0.11 0.41 -4.46 120.40 121.66 2nrx s VAL 452 Ca -0.15 -1.23 0.06 0.00 -2.93 0.00 0.00 61.98 57.73 2nrx s VAL 452 Cb -0.16 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 2nrx s VAL 452 CO 0.05 0.11 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.04 2nrx s GLY 453 N -1.31 1.60 -0.17 6.54 0.00 0.10 -1.00 107.32 113.09 2nrx s GLY 453 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2nrx s GLY 453 CO 0.02 -1.75 -0.11 -2.27 0.00 0.00 0.00 173.10 168.98 2nrx s LEU 454 N -3.35 1.86 0.30 0.66 2.96 -0.89 -0.14 118.68 120.08 2nrx s LEU 454 Ca 0.27 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2nrx s LEU 454 Cb 0.03 -1.15 -0.12 0.00 0.50 0.00 0.00 46.19 45.45 2nrx s LEU 454 CO 0.09 -0.10 1.57 0.00 -1.32 0.00 0.00 176.35 176.58 2nrx n ALA 455 N 4.76 2.43 -0.30 5.97 0.00 -0.25 -3.00 120.51 130.12 2nrx n ALA 455 Ca -0.15 0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.67 2nrx n ALA 455 Cb 0.49 -2.45 0.20 0.00 0.00 0.00 0.00 19.45 17.69 2nrx n ALA 455 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2nrx h LYS 456 N 4.54 1.11 -0.01 0.00 1.57 -1.91 -3.17 116.57 118.70 2nrx h LYS 456 Ca -0.47 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2nrx h LYS 456 Cb 1.23 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2nrx h LYS 456 CO 0.77 0.73 -0.01 1.63 -0.57 0.00 0.00 179.45 182.00 2nrx n LYS 457 N -4.43 0.12 -4.83 3.15 4.76 -1.26 -5.02 118.16 110.65 2nrx n LYS 457 Ca 0.12 -0.87 -0.27 0.00 -2.87 0.00 0.00 58.31 54.41 2nrx n LYS 457 Cb 0.09 -1.12 -0.15 0.00 -1.84 0.00 0.00 35.03 32.01 2nrx n LYS 457 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2nrx s GLU 458 N -0.60 1.59 -0.96 1.97 2.02 -1.20 -5.01 118.70 116.51 2nrx s GLU 458 Ca 0.08 -0.94 -0.09 0.00 0.02 0.00 0.00 54.97 54.03 2nrx s GLU 458 Cb 0.06 -1.68 -0.07 0.00 0.10 0.00 0.00 34.13 32.54 2nrx s GLU 458 CO 0.09 0.44 2.14 0.39 0.02 0.00 0.00 175.26 178.34 2nrx n GLU 459 N 2.01 2.13 -3.74 1.61 1.02 -1.26 -4.23 120.64 118.18 2nrx n GLU 459 Ca -0.17 -1.63 -0.22 0.00 -0.02 0.00 0.00 57.16 55.13 2nrx n GLU 459 Cb 0.53 -2.59 -0.18 0.00 -0.02 0.00 0.00 31.44 29.18 2nrx n GLU 459 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2nrx s THR 460 N 3.60 0.22 0.14 2.62 2.01 -1.26 -3.03 115.64 119.94 2nrx s THR 460 Ca 0.45 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 62.44 2nrx s THR 460 Cb 0.12 -0.41 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 2nrx s THR 460 CO -0.01 0.23 0.72 -0.69 -0.69 0.00 0.00 174.62 174.18 2nrx s VAL 461 N 2.02 4.48 -0.12 3.82 1.01 -0.00 -1.09 120.40 130.52 2nrx s VAL 461 Ca 0.05 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2nrx s VAL 461 Cb -0.12 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2nrx s VAL 461 CO -0.04 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.71 2nrx s VAL 462 N -1.12 2.50 -0.26 2.92 1.01 0.81 0.12 120.40 126.38 2nrx s VAL 462 Ca 0.34 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 2nrx s VAL 462 Cb -0.22 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.24 2nrx s VAL 462 CO 0.24 0.54 0.60 0.12 0.00 0.00 0.00 175.10 176.60 2nrx s PHE 463 N 0.47 -1.08 -1.28 5.22 5.36 -0.72 -0.72 117.98 125.24 2nrx s PHE 463 Ca -0.13 2.02 -0.06 0.00 -0.96 0.00 0.00 56.93 57.81 2nrx s PHE 463 Cb -0.17 0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 43.12 2nrx s PHE 463 CO 0.05 -0.55 0.65 0.39 -1.46 0.00 0.00 175.22 174.31 2nrx n GLU 464 N 4.87 -3.32 -1.00 10.12 1.02 -1.26 -2.30 120.64 128.77 2nrx n GLU 464 Ca -0.16 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2nrx n GLU 464 Cb 0.54 -4.74 0.00 0.00 -0.02 0.00 0.00 31.44 27.21 2nrx n GLU 464 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2nrx n ASN 465 N -2.94 -4.17 -4.14 1.62 5.15 -1.26 -4.98 115.26 104.54 2nrx n ASN 465 Ca -0.24 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.54 2nrx n ASN 465 Cb 0.65 -1.70 -0.14 0.00 -0.53 0.00 0.00 39.78 38.07 2nrx n ASN 465 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nrx s ARG 466 N -0.80 0.99 -0.20 1.20 1.70 -0.97 -5.07 118.95 115.80 2nrx s ARG 466 Ca 0.00 -0.69 -0.17 0.00 -0.47 0.00 0.00 55.73 54.40 2nrx s ARG 466 Cb 0.00 -0.99 -0.04 0.00 -0.57 0.00 0.00 34.95 33.36 2nrx s ARG 466 CO 0.00 0.25 0.44 -1.21 -1.08 0.00 0.00 175.30 173.70 2nrx s GLU 467 N -0.93 4.18 -0.35 3.89 2.02 -1.26 -1.76 118.70 124.50 2nrx s GLU 467 Ca 0.03 0.28 -0.14 0.00 0.02 0.00 0.00 54.97 55.16 2nrx s GLU 467 Cb -0.07 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 2nrx s GLU 467 CO 0.01 -0.07 0.28 0.42 0.02 0.00 0.00 175.26 175.92 2nrx s ILE 468 N 1.39 5.25 -0.53 -1.63 1.01 0.32 -4.93 121.20 122.08 2nrx s ILE 468 Ca 0.21 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2nrx s ILE 468 Cb -0.15 -3.76 0.09 0.00 0.01 0.00 0.00 42.46 38.65 2nrx s ILE 468 CO 0.09 -0.05 0.56 -1.00 0.00 0.00 0.00 174.94 174.53 2nrx s HIS 469 N 1.81 3.13 0.32 3.97 3.76 -1.26 -0.82 115.29 126.20 2nrx s HIS 469 Ca 0.08 -0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 54.02 2nrx s HIS 469 Cb -0.17 -3.64 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 2nrx s HIS 469 CO 0.11 -1.04 0.56 -0.51 -0.85 0.00 0.00 174.74 173.01 2nrx s LEU 470 N 2.15 4.01 0.72 0.89 1.43 -1.17 -5.06 118.68 121.66 2nrx s LEU 470 Ca 0.08 0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 53.67 2nrx s LEU 470 Cb -0.24 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.55 2nrx s LEU 470 CO 0.07 -0.26 1.14 -2.84 0.23 0.00 0.00 176.35 174.69 2nrx s PRO 471 N -3.93 2.33 0.45 1.29 0.02 -1.26 -4.90 135.00 129.00 2nrx s PRO 471 Ca 0.42 1.48 0.11 0.00 0.02 0.00 0.00 61.00 63.04 2nrx s PRO 471 Cb -0.10 -1.88 1.01 0.00 0.02 0.00 0.00 34.50 33.55 2nrx s PRO 471 CO 0.34 -1.63 2.06 1.12 -0.33 0.00 0.00 177.00 178.56 2nrx h HIS 472 N -0.45 0.23 -0.12 6.54 2.07 -1.98 -1.86 115.15 119.58 2nrx h HIS 472 Ca -0.46 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2nrx h HIS 472 Cb 1.26 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2nrx h HIS 472 CO 0.52 0.20 0.00 -0.25 -3.07 0.00 0.00 177.93 175.33 2nrx n ASP 473 N -4.45 1.05 -4.71 3.10 9.92 -1.26 -4.77 116.55 115.42 2nrx n ASP 473 Ca -0.00 -1.68 -0.42 0.00 -0.53 0.00 0.00 54.79 52.16 2nrx n ASP 473 Cb 0.12 -0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 2nrx n ASP 473 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2nrx s HIS 474 N -1.84 2.83 0.51 1.24 2.46 -0.70 -4.86 115.29 114.92 2nrx s HIS 474 Ca 0.27 0.40 0.24 0.00 0.47 0.00 0.00 55.06 56.45 2nrx s HIS 474 Cb 0.14 -4.05 1.32 0.00 -0.13 0.00 0.00 32.58 29.87 2nrx s HIS 474 CO 0.22 -4.00 1.96 -1.00 -2.47 0.00 0.00 174.74 169.45 2nrx h PRO 475 N 7.16 0.10 -0.25 2.88 0.13 -1.92 -1.49 132.00 138.61 2nrx h PRO 475 Ca -0.43 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2nrx h PRO 475 Cb 1.20 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2nrx h PRO 475 CO 0.94 0.07 -0.57 0.28 -0.23 0.00 0.00 178.00 178.48 2nrx h VAL 476 N 0.10 1.29 -0.19 1.56 2.07 -1.89 -1.28 116.25 117.91 2nrx h VAL 476 Ca 0.31 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 66.08 2nrx h VAL 476 Cb 1.07 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2nrx h VAL 476 CO -0.03 0.57 0.03 0.25 0.02 0.00 0.00 177.57 178.41 2nrx h LEU 477 N 0.60 -0.00 -0.95 2.57 5.85 -1.65 -1.46 115.31 120.27 2nrx h LEU 477 Ca 0.01 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2nrx h LEU 477 Cb 1.17 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2nrx h LEU 477 CO 0.12 0.03 0.62 0.03 -0.34 0.00 0.00 178.44 178.90 2nrx h ARG 478 N 0.11 1.18 -0.12 1.25 3.08 -1.26 -1.17 114.38 117.45 2nrx h ARG 478 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2nrx h ARG 478 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2nrx h ARG 478 CO -0.12 0.78 0.07 1.25 -1.07 0.00 0.00 179.97 180.88 2nrx h LEU 479 N 1.22 0.15 -0.93 3.04 5.85 -1.09 -1.31 115.31 122.25 2nrx h LEU 479 Ca 0.37 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 2nrx h LEU 479 Cb -0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2nrx h LEU 479 CO -0.11 0.19 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.95 2nrx h LEU 480 N 0.10 0.60 -0.47 2.25 3.38 -0.97 -2.17 115.31 118.04 2nrx h LEU 480 Ca 0.04 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2nrx h LEU 480 Cb 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2nrx h LEU 480 CO -0.01 0.78 0.28 0.58 0.09 0.00 0.00 178.44 180.16 2nrx h VAL 481 N 0.55 1.06 -0.73 1.22 2.07 -1.08 0.12 116.25 119.46 2nrx h VAL 481 Ca 0.09 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2nrx h VAL 481 Cb 0.59 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2nrx h VAL 481 CO 0.04 0.10 0.44 1.56 0.02 0.00 0.00 177.57 179.74 2nrx h GLN 482 N 0.57 0.81 -0.15 1.57 4.20 -0.73 0.28 115.11 121.67 2nrx h GLN 482 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2nrx h GLN 482 Cb -0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2nrx h GLN 482 CO -0.07 0.54 0.07 0.82 -0.67 0.00 0.00 178.83 179.51 2nrx h ILE 483 N 0.84 1.13 -0.55 2.54 2.04 -1.12 -2.06 117.51 120.33 2nrx h ILE 483 Ca 0.31 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2nrx h ILE 483 Cb 0.11 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2nrx h ILE 483 CO -0.15 0.12 0.34 -0.09 0.00 0.00 0.00 178.15 178.37 2nrx h ARG 484 N 0.11 0.73 -0.56 2.37 2.43 -0.29 -1.02 114.38 118.15 2nrx h ARG 484 Ca 0.05 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2nrx h ARG 484 Cb 0.13 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2nrx h ARG 484 CO -0.01 0.51 0.37 -0.44 -1.51 0.00 0.00 179.97 178.90 2nrx h ASP 485 N 0.74 0.56 -0.17 -3.80 3.32 -0.35 -0.08 116.42 116.64 2nrx h ASP 485 Ca 0.20 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 2nrx h ASP 485 Cb -0.04 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.38 2nrx h ASP 485 CO -0.04 0.39 -0.57 -0.08 -1.72 0.00 0.00 179.24 177.22 2nrx h GLU 486 N 0.65 0.69 -0.51 3.56 4.57 -0.64 -0.76 114.58 122.14 2nrx h GLU 486 Ca 0.22 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2nrx h GLU 486 Cb 0.08 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2nrx h GLU 486 CO -0.06 1.13 0.28 1.79 -1.18 0.00 0.00 179.01 180.97 2nrx h THR 487 N 0.38 1.16 -0.01 0.32 1.35 -0.79 -1.43 112.91 113.89 2nrx h THR 487 Ca -0.02 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2nrx h THR 487 Cb 1.20 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2nrx h THR 487 CO 0.12 0.18 -0.00 0.45 -0.25 0.00 0.00 175.52 176.02 2nrx h HIS 488 N 0.71 0.03 -0.45 4.73 3.86 -0.97 -0.76 115.15 122.30 2nrx h HIS 488 Ca 0.18 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.47 2nrx h HIS 488 Cb 0.02 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.42 2nrx h HIS 488 CO 0.00 0.37 0.03 0.00 0.86 0.00 0.00 177.93 179.19 2nrx h ARG 489 N -0.32 0.14 -0.70 2.45 3.08 -0.89 -0.05 114.38 118.09 2nrx h ARG 489 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2nrx h ARG 489 Cb 0.36 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2nrx h ARG 489 CO 0.00 0.09 0.34 0.35 -1.07 0.00 0.00 179.97 179.69 2nrx h PHE 490 N 0.15 1.01 -0.76 3.04 3.57 -1.26 -2.45 116.94 120.24 2nrx h PHE 490 Ca 0.22 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2nrx h PHE 490 Cb 0.32 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2nrx h PHE 490 CO -0.26 0.75 0.37 0.00 -2.23 0.00 0.00 178.31 176.94 2nrx h ALA 491 N 1.16 1.22 0.00 2.41 0.00 -0.44 -2.33 119.26 121.29 2nrx h ALA 491 Ca 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2nrx h ALA 491 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2nrx h ALA 491 CO -0.03 0.60 -0.35 0.28 0.00 0.00 0.00 179.25 179.75 2nrx h VAL 492 N 1.08 1.08 0.00 0.00 2.07 -0.65 -2.55 116.25 117.28 2nrx h VAL 492 Ca 0.26 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2nrx h VAL 492 Cb 0.10 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2nrx h VAL 492 CO -0.04 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.36 2nrx n SER 493 N -3.88 0.59 -4.74 0.57 3.41 -0.88 -4.58 113.62 104.12 2nrx n SER 493 Ca -0.01 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.82 2nrx n SER 493 Cb 0.41 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 2nrx n SER 493 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2nrx s TYR 494 N -3.26 2.82 -2.02 7.33 5.04 -0.96 -1.28 117.35 125.02 2nrx s TYR 494 Ca 0.05 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2nrx s TYR 494 Cb 0.10 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.29 2nrx s TYR 494 CO 0.39 -3.99 0.00 0.72 -1.34 0.00 0.00 175.55 171.33 2nrx n HIS 495 N 3.08 -0.30 -0.28 4.97 8.25 -1.26 -4.86 115.22 124.82 2nrx n HIS 495 Ca 0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.64 2nrx n HIS 495 Cb 0.36 -3.50 0.21 0.00 1.12 0.00 0.00 29.99 28.18 2nrx n HIS 495 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2nrx h ARG 496 N 0.00 0.50 -0.31 -0.41 2.43 -1.43 -1.26 114.38 113.89 2nrx h ARG 496 Ca -0.43 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2nrx h ARG 496 Cb 1.32 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2nrx h ARG 496 CO 0.59 0.33 0.06 -0.22 -1.51 0.00 0.00 179.97 179.22 2nrx h LYS 497 N 0.51 0.51 -0.45 0.20 3.64 -1.89 -0.12 116.57 118.99 2nrx h LYS 497 Ca 0.44 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 2nrx h LYS 497 Cb 0.66 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 2nrx h LYS 497 CO -0.39 0.60 -0.02 0.00 -2.27 0.00 0.00 179.45 177.36 2nrx h ARG 498 N 0.35 0.08 -0.38 1.90 2.47 -1.87 -1.69 114.38 115.24 2nrx h ARG 498 Ca 0.10 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2nrx h ARG 498 Cb 0.33 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2nrx h ARG 498 CO 0.00 0.05 0.05 0.00 0.56 0.00 0.00 179.97 180.64 2nrx h ARG 499 N 0.08 0.63 -0.56 0.04 3.08 -0.97 -1.02 114.38 115.67 2nrx h ARG 499 Ca 0.22 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.14 2nrx h ARG 499 Cb 0.33 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 2nrx h ARG 499 CO -0.39 0.70 0.30 0.93 -1.07 0.00 0.00 179.97 180.44 2nrx h GLU 500 N 0.47 0.55 -0.76 0.04 5.08 -0.85 0.22 114.58 119.33 2nrx h GLU 500 Ca 0.11 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2nrx h GLU 500 Cb 0.39 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2nrx h GLU 500 CO 0.01 0.36 0.30 0.87 -1.00 0.00 0.00 179.01 179.55 2nrx h LYS 501 N 0.57 1.13 -0.56 2.33 1.57 -1.11 -0.10 116.57 120.40 2nrx h LYS 501 Ca 0.24 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2nrx h LYS 501 Cb 0.14 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2nrx h LYS 501 CO -0.16 0.92 0.09 0.93 -0.57 0.00 0.00 179.45 180.66 2nrx h GLU 502 N 1.11 0.93 -0.46 3.15 5.08 -0.66 0.13 114.58 123.85 2nrx h GLU 502 Ca 0.25 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2nrx h GLU 502 Cb 0.22 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2nrx h GLU 502 CO -0.02 0.89 0.13 0.77 -1.00 0.00 0.00 179.01 179.79 2nrx h SER 503 N 0.82 0.68 -0.25 1.42 0.02 -0.38 -0.96 113.55 114.90 2nrx h SER 503 Ca 0.17 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2nrx h SER 503 Cb 0.41 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2nrx h SER 503 CO 0.01 0.72 0.10 0.25 -1.14 0.00 0.00 176.83 176.76 2nrx h LEU 504 N 0.61 0.35 -0.68 5.07 5.85 -0.83 -2.46 115.31 123.22 2nrx h LEU 504 Ca 0.15 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.79 2nrx h LEU 504 Cb 0.28 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2nrx h LEU 504 CO -0.00 0.43 0.32 -0.09 -0.34 0.00 0.00 178.44 178.75 2nrx h ARG 505 N 0.25 0.53 -1.00 1.25 2.43 -0.57 -0.14 114.38 117.12 2nrx h ARG 505 Ca 0.08 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2nrx h ARG 505 Cb 0.19 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2nrx h ARG 505 CO -0.01 0.35 0.66 0.77 -1.51 0.00 0.00 179.97 180.23 2nrx h SER 506 N 0.54 1.09 -0.10 -3.80 0.02 -0.92 0.14 113.55 110.51 2nrx h SER 506 Ca 0.34 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.17 2nrx h SER 506 Cb 0.38 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2nrx h SER 506 CO -0.28 0.74 -0.38 0.58 -1.14 0.00 0.00 176.83 176.35 2nrx h VAL 507 N 1.26 1.39 0.00 2.27 2.07 -0.97 -3.12 116.25 119.14 2nrx h VAL 507 Ca 0.40 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2nrx h VAL 507 Cb 0.01 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2nrx h VAL 507 CO -0.13 0.51 -0.11 -0.07 0.02 0.00 0.00 177.57 177.79 2nrx h LEU 508 N 0.01 0.00 -2.20 2.57 3.38 -0.63 -0.99 115.31 117.45 2nrx h LEU 508 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2nrx h LEU 508 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2nrx h LEU 508 CO 0.08 0.11 0.00 0.44 0.09 0.00 0.00 178.44 179.16 2nrx h ASP 509 N 0.00 0.00 1.17 -0.43 3.32 -0.68 -1.34 116.42 118.47 2nrx h ASP 509 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nrx h ASP 509 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2nrx h ASP 509 CO 0.01 0.00 -0.45 0.78 -1.72 0.00 0.00 179.24 177.87 2nrx h ASN 510 N 0.00 0.00 -3.17 6.45 2.35 -1.23 -3.46 115.58 116.52 2nrx h ASN 510 Ca 0.00 -0.11 -0.57 0.00 -0.55 0.00 0.00 56.30 55.08 2nrx h ASN 510 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 2nrx h ASN 510 CO 0.00 0.05 0.68 0.68 -1.65 0.00 0.00 177.43 177.19 2nrx s VAL 511 N -3.18 4.72 0.38 2.81 -7.23 -0.51 -4.98 120.40 112.41 2nrx s VAL 511 Ca 0.06 2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 61.98 2nrx s VAL 511 Cb 0.12 -4.30 -0.09 0.00 0.56 0.00 0.00 36.38 32.66 2nrx s VAL 511 CO 0.69 -0.08 1.33 -2.16 -0.31 0.00 0.00 175.10 174.58 2nrx s PRO 512 N 2.55 4.08 -1.93 4.82 0.04 -1.26 -3.24 135.00 140.07 2nrx s PRO 512 Ca 0.47 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2nrx s PRO 512 Cb -0.17 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2nrx s PRO 512 CO 0.13 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2nrx n GLY 513 N 0.67 1.22 0.07 0.56 0.00 -1.26 -4.91 105.19 101.54 2nrx n GLY 513 Ca 0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2nrx n GLY 513 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nrx h ILE 514 N 0.00 1.59 0.00 -0.61 6.09 -1.91 -3.51 117.51 119.16 2nrx h ILE 514 Ca -0.41 -1.80 0.00 0.00 -1.37 0.00 0.00 64.86 61.28 2nrx h ILE 514 Cb 1.28 2.78 0.00 0.00 0.47 0.00 0.00 36.82 41.35 2nrx h ILE 514 CO 0.57 0.47 0.00 0.61 -3.07 0.00 0.00 178.15 176.73 2nrx n GLY 515 N 0.95 -0.88 0.15 8.18 0.00 -1.26 -4.48 105.19 107.85 2nrx n GLY 515 Ca -0.09 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2nrx n GLY 515 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nrx h PRO 516 N 0.00 0.38 -0.24 1.61 0.13 -1.99 -2.39 132.00 129.50 2nrx h PRO 516 Ca 0.00 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2nrx h PRO 516 Cb 0.00 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 2nrx h PRO 516 CO 0.00 1.07 0.10 0.82 -0.23 0.00 0.00 178.00 179.76 2nrx h ILE 517 N 0.22 1.17 -0.25 -3.56 1.08 -2.00 -1.76 117.51 112.40 2nrx h ILE 517 Ca -0.07 -0.51 -0.15 0.00 -0.39 0.00 0.00 64.86 63.74 2nrx h ILE 517 Cb 1.54 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 2nrx h ILE 517 CO 0.15 0.17 -0.45 0.03 -0.69 0.00 0.00 178.15 177.37 2nrx h ARG 518 N 0.24 0.64 -0.35 2.37 3.08 -1.78 -1.99 114.38 116.59 2nrx h ARG 518 Ca 0.08 -0.35 0.06 0.00 0.07 0.00 0.00 59.98 59.84 2nrx h ARG 518 Cb 0.18 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 2nrx h ARG 518 CO -0.01 0.96 0.02 0.87 -1.07 0.00 0.00 179.97 180.74 2nrx h LYS 519 N 0.52 0.12 -0.49 0.04 1.57 -1.32 -1.75 116.57 115.25 2nrx h LYS 519 Ca 0.03 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2nrx h LYS 519 Cb 0.98 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2nrx h LYS 519 CO 0.09 0.08 0.01 0.87 -0.57 0.00 0.00 179.45 179.93 2nrx h LYS 520 N 0.12 0.81 -0.69 3.15 1.79 -1.15 -1.14 116.57 119.47 2nrx h LYS 520 Ca 0.17 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2nrx h LYS 520 Cb 0.23 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2nrx h LYS 520 CO -0.27 0.81 0.41 0.87 -1.08 0.00 0.00 179.45 180.19 2nrx h LYS 521 N 0.76 0.75 -0.36 3.15 1.57 -0.97 -0.10 116.57 121.38 2nrx h LYS 521 Ca 0.15 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 2nrx h LYS 521 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2nrx h LYS 521 CO 0.02 0.50 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.06 2nrx h LEU 522 N 0.78 0.86 -0.22 2.94 3.38 -0.80 -0.94 115.31 121.30 2nrx h LEU 522 Ca 0.29 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2nrx h LEU 522 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2nrx h LEU 522 CO -0.14 1.12 0.08 0.40 0.09 0.00 0.00 178.44 179.99 2nrx h ILE 523 N 0.61 1.17 -0.22 1.22 2.04 -0.87 0.32 117.51 121.78 2nrx h ILE 523 Ca 0.07 -0.54 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 2nrx h ILE 523 Cb 0.84 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2nrx h ILE 523 CO 0.07 0.17 -0.35 -0.33 0.00 0.00 0.00 178.15 177.71 2nrx h GLU 524 N 0.20 0.47 0.10 2.37 4.39 -0.95 0.32 114.58 121.48 2nrx h GLU 524 Ca 0.07 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2nrx h GLU 524 Cb 0.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2nrx h GLU 524 CO -0.00 0.76 -0.05 1.25 -1.16 0.00 0.00 179.01 179.81 2nrx h HIS 525 N 0.40 -0.12 0.09 4.33 2.76 -1.11 -3.39 115.15 118.11 2nrx h HIS 525 Ca 0.04 -0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.88 2nrx h HIS 525 Cb 0.81 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 2nrx h HIS 525 CO 0.03 0.37 -1.78 0.74 -1.30 0.00 0.00 177.93 175.99 2nrx h PHE 526 N -0.70 0.34 0.00 5.26 0.04 -0.91 -3.49 116.94 117.49 2nrx h PHE 526 Ca -0.01 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.51 2nrx h PHE 526 Cb 0.54 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2nrx h PHE 526 CO 0.10 1.44 0.00 0.41 -0.60 0.00 0.00 178.31 179.66 2nrx n GLY 527 N 1.77 1.00 3.22 -1.45 0.00 0.11 -4.66 105.19 105.19 2nrx n GLY 527 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2nrx n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nrx s SER 528 N 0.00 0.07 0.24 1.61 1.04 -1.26 -3.09 113.70 112.30 2nrx s SER 528 Ca 0.00 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 2nrx s SER 528 Cb 0.00 0.35 0.35 0.00 0.10 0.00 0.00 66.02 66.82 2nrx s SER 528 CO 0.00 -0.73 1.83 -0.07 0.98 0.00 0.00 173.24 175.26 2nrx h LEU 529 N 2.77 0.76 -0.46 2.42 3.38 -1.90 -1.85 115.31 120.43 2nrx h LEU 529 Ca -0.34 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.75 2nrx h LEU 529 Cb 1.20 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 2nrx h LEU 529 CO 0.54 0.47 -0.20 -0.08 0.09 0.00 0.00 178.44 179.26 2nrx h GLU 530 N 0.89 -0.10 -0.19 1.13 4.81 -1.96 -1.31 114.58 117.86 2nrx h GLU 530 Ca 0.37 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 2nrx h GLU 530 Cb 0.23 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2nrx h GLU 530 CO -0.20 -0.07 -0.12 -0.91 -0.73 0.00 0.00 179.01 176.99 2nrx h ASN 531 N -0.10 0.43 -0.14 1.04 2.35 -1.75 -2.99 115.58 114.43 2nrx h ASN 531 Ca 0.22 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.49 2nrx h ASN 531 Cb 0.44 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2nrx h ASN 531 CO -0.53 0.77 -0.04 -0.29 -1.65 0.00 0.00 177.43 175.69 2nrx h ILE 532 N 0.10 1.18 0.00 2.81 2.10 -1.24 -2.09 117.51 120.37 2nrx h ILE 532 Ca 0.04 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 65.24 2nrx h ILE 532 Cb 0.62 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 2nrx h ILE 532 CO 0.03 0.25 0.00 0.03 -1.08 0.00 0.00 178.15 177.38 2nrx h ARG 533 N 0.39 0.00 -0.00 2.19 3.08 -1.20 -1.81 114.38 117.03 2nrx h ARG 533 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2nrx h ARG 533 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2nrx h ARG 533 CO 0.01 0.00 -0.27 -1.13 -1.07 0.00 0.00 179.97 177.52 2nrx n SER 534 N -2.48 0.65 -4.88 7.04 3.41 -0.79 -4.96 113.62 111.61 2nrx n SER 534 Ca 0.02 -0.51 -0.32 0.00 -0.26 0.00 0.00 58.87 57.79 2nrx n SER 534 Cb 0.27 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2nrx n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nrx s ALA 535 N -2.67 3.66 0.69 7.33 0.00 -0.68 -5.08 121.76 125.00 2nrx s ALA 535 Ca 0.21 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 2nrx s ALA 535 Cb 0.19 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 21.00 2nrx s ALA 535 CO 0.56 0.57 1.07 -1.54 0.00 0.00 0.00 175.76 176.42 2nrx s SER 536 N -2.28 5.24 0.26 0.00 1.04 -1.26 -4.92 113.70 111.78 2nrx s SER 536 Ca 0.43 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 2nrx s SER 536 Cb -0.12 -2.51 0.52 0.00 0.10 0.00 0.00 66.02 64.00 2nrx s SER 536 CO 0.22 -1.54 1.74 0.25 0.98 0.00 0.00 173.24 174.89 2nrx h LEU 537 N -0.50 0.39 -0.55 2.42 5.85 -1.98 -2.04 115.31 118.91 2nrx h LEU 537 Ca -0.45 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 2nrx h LEU 537 Cb 1.22 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2nrx h LEU 537 CO 0.55 0.14 0.07 -0.33 -0.34 0.00 0.00 178.44 178.53 2nrx h GLU 538 N 0.52 0.92 0.08 1.25 3.07 -1.98 0.72 114.58 119.16 2nrx h GLU 538 Ca 0.45 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2nrx h GLU 538 Cb 0.68 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2nrx h GLU 538 CO -0.40 0.90 -0.04 1.49 -1.40 0.00 0.00 179.01 179.56 2nrx h GLU 539 N 0.81 -0.11 -0.55 2.33 4.81 -1.87 -1.48 114.58 118.52 2nrx h GLU 539 Ca 0.16 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.49 2nrx h GLU 539 Cb 0.44 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2nrx h GLU 539 CO 0.02 0.10 0.16 0.82 -0.73 0.00 0.00 179.01 179.38 2nrx h ILE 540 N -0.31 0.74 -0.88 2.32 2.04 -1.19 -1.92 117.51 118.32 2nrx h ILE 540 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2nrx h ILE 540 Cb 0.26 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2nrx h ILE 540 CO 0.02 0.06 0.56 0.00 0.00 0.00 0.00 178.15 178.79 2nrx h ALA 541 N 1.40 1.18 -0.28 1.87 0.00 -0.78 -2.59 119.26 120.06 2nrx h ALA 541 Ca 0.28 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2nrx h ALA 541 Cb 0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2nrx h ALA 541 CO -0.32 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.19 2nrx h ARG 542 N 1.07 0.47 -0.64 0.00 3.08 -0.59 0.27 114.38 118.04 2nrx h ARG 542 Ca 0.36 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 2nrx h ARG 542 Cb 0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2nrx h ARG 542 CO -0.14 0.59 0.17 0.28 -1.07 0.00 0.00 179.97 179.81 2nrx h VAL 543 N 0.44 1.25 -0.01 2.04 2.07 -0.98 -3.28 116.25 117.78 2nrx h VAL 543 Ca 0.08 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2nrx h VAL 543 Cb 0.48 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2nrx h VAL 543 CO 0.03 0.34 -0.18 2.30 0.02 0.00 0.00 177.57 180.08 2nrx n ILE 544 N -4.25 0.00 -1.18 4.57 -5.35 -1.08 -4.89 119.36 107.18 2nrx n ILE 544 Ca 0.05 -0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.06 2nrx n ILE 544 Cb 0.24 1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 39.30 2nrx n ILE 544 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nrx n GLY 545 N 0.92 0.84 3.28 3.28 0.00 0.92 -5.01 105.19 109.42 2nrx n GLY 545 Ca 0.06 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 2nrx n GLY 545 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nrx s SER 546 N -2.94 -0.43 0.18 1.61 0.15 -0.94 -5.00 113.70 106.33 2nrx s SER 546 Ca 0.00 0.98 -0.02 0.00 0.70 0.00 0.00 55.95 57.61 2nrx s SER 546 Cb 0.00 1.56 0.09 0.00 -1.71 0.00 0.00 66.02 65.96 2nrx s SER 546 CO 0.00 -0.24 1.47 0.74 1.20 0.00 0.00 173.24 176.41 2nrx h THR 547 N 6.13 1.35 -0.26 6.45 2.02 -1.94 -2.10 112.91 124.55 2nrx h THR 547 Ca -0.17 -1.96 0.02 0.00 0.77 0.00 0.00 66.41 65.06 2nrx h THR 547 Cb 1.12 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 2nrx h THR 547 CO 0.15 0.60 0.13 -0.08 0.37 0.00 0.00 175.52 176.69 2nrx h GLU 548 N 0.35 0.28 -0.38 6.66 4.57 -1.98 -1.10 114.58 122.98 2nrx h GLU 548 Ca -0.01 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 2nrx h GLU 548 Cb 1.20 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2nrx h GLU 548 CO 0.11 0.18 -0.29 0.82 -1.18 0.00 0.00 179.01 178.66 2nrx h ILE 549 N 0.28 1.28 -0.55 2.32 2.04 -1.97 -3.01 117.51 117.90 2nrx h ILE 549 Ca 0.11 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.56 2nrx h ILE 549 Cb 0.03 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2nrx h ILE 549 CO -0.07 0.48 0.36 0.00 0.00 0.00 0.00 178.15 178.92 2nrx h ALA 550 N 0.99 1.71 -0.71 1.87 0.00 -0.96 -0.21 119.26 121.94 2nrx h ALA 550 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2nrx h ALA 550 Cb 0.83 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2nrx h ALA 550 CO 0.07 0.23 0.17 0.00 0.00 0.00 0.00 179.25 179.73 2nrx h ARG 551 N 0.65 1.14 -0.27 0.00 3.08 -1.08 -0.77 114.38 117.13 2nrx h ARG 551 Ca 0.22 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2nrx h ARG 551 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2nrx h ARG 551 CO -0.06 1.00 -0.25 0.00 -1.07 0.00 0.00 179.97 179.59 2nrx h ARG 552 N 1.08 0.53 -0.01 0.04 3.08 -1.07 -0.32 114.38 117.72 2nrx h ARG 552 Ca 0.22 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2nrx h ARG 552 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2nrx h ARG 552 CO 0.00 0.74 -0.03 0.28 -1.07 0.00 0.00 179.97 179.90 2nrx h VAL 553 N 0.47 0.92 -0.98 2.04 2.07 -0.69 -0.94 116.25 119.14 2nrx h VAL 553 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2nrx h VAL 553 Cb 0.69 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2nrx h VAL 553 CO 0.05 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.22 2nrx h LEU 554 N -0.05 1.09 0.25 2.57 3.38 -0.95 0.06 115.31 121.65 2nrx h LEU 554 Ca 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2nrx h LEU 554 Cb 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2nrx h LEU 554 CO -0.03 0.76 -0.36 0.44 0.09 0.00 0.00 178.44 179.34 2nrx h ASP 555 N 1.27 -1.00 -0.79 -0.43 3.32 -0.65 -3.04 116.42 115.10 2nrx h ASP 555 Ca 0.38 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 2nrx h ASP 555 Cb -0.05 0.36 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2nrx h ASP 555 CO -0.11 -0.47 0.41 0.40 -1.72 0.00 0.00 179.24 177.75 2nrx h ILE 556 N -0.67 1.24 0.00 0.35 1.08 -0.74 -3.51 117.51 115.26 2nrx h ILE 556 Ca 0.00 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 2nrx h ILE 556 Cb 0.64 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2nrx h ILE 556 CO -0.13 0.28 0.00 0.18 -0.69 0.00 0.00 178.15 177.79